ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate

C13H20N2O3S — CID 78963918

IUPACethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-18-11(16)8-14-12(17)15-9-13(2,3)10-6-5-7-19-10/h5-7H,4,8-9H2,1-3H3,(H2,14,15,17)
InChIKeyBVHWJLVUKKHVIH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.89
Rot. Bonds6

About ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate

ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate (PubChem CID 78963918) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
PubChem CID78963918
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC(C)(C)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-18-11(16)8-14-12(17)15-9-13(2,3)10-6-5-7-19-10/h5-7H,4,8-9H2,1-3H3,(H2,14,15,17)
InChIKeyBVHWJLVUKKHVIH-UHFFFAOYSA-N
XLogP1.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methyl-2-thiophen-2-ylpropyl)amino]-4-oxobutanoate
CID 78962055
2-methyl-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527697
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
(2R)-2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 80527715
ethyl 7-[[N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]heptanoate
CID 111582016
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
3-methoxy-4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]butanoic acid
CID 103159686
4-amino-2,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)butanamide
CID 115157160
1-ethyl-1-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)urea
CID 115627643
N-(2-methyl-2-thiophen-2-ylpropyl)-2-propoxyacetamide
CID 113236235
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate (CID 78963918) is ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)NCC(C)(C)c1cccs1.
What is the InChIKey of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate?
The InChIKey is BVHWJLVUKKHVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-18-11(16)8-14-12(17)15-9-13(2,3)10-6-5-7-19-10/h5-7H,4,8-9H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate?
ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate has a molecular weight of 284.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-2-thiophen-2-ylpropyl)carbamoylamino]acetate is sourced from PubChem (CID 78963918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).